BDBM50297365 (1S,2R)-1-(1H-indol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol::CHEMBL562476

SMILES: CNC[C@@H](O)[C@H](c1ccccc1)n1ccc2ccccc12

InChI Key: InChIKey=ANOKEIWYHCYLAM-MSOLQXFVSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50297365   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50297365 ((1S,2R)-1-(1H-indol-1-yl)-3-(methylamino)-1-phenyl...) Show SMILES CNC[C@@H](O)[C@H](c1ccccc1)n1ccc2ccccc12 |r| Show InChI InChI=1S/C18H20N2O/c1-19-13-17(21)18(15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)20/h2-12,17-19,21H,13H2,1H3/t17-,18+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in MDCK-Net6 cells				Bioorg Med Chem Lett 19: 5029-32 (2009) Article DOI: 10.1016/j.bmcl.2009.07.053 BindingDB Entry DOI: 10.7270/Q2CC10SH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50297365 ((1S,2R)-1-(1H-indol-1-yl)-3-(methylamino)-1-phenyl...) Show SMILES CNC[C@@H](O)[C@H](c1ccccc1)n1ccc2ccccc12 |r| Show InChI InChI=1S/C18H20N2O/c1-19-13-17(21)18(15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)20/h2-12,17-19,21H,13H2,1H3/t17-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of seratonin uptake at human SERT expressed in JAR cells				Bioorg Med Chem Lett 19: 5029-32 (2009) Article DOI: 10.1016/j.bmcl.2009.07.053 BindingDB Entry DOI: 10.7270/Q2CC10SH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50297365 ((1S,2R)-1-(1H-indol-1-yl)-3-(methylamino)-1-phenyl...) Show SMILES CNC[C@@H](O)[C@H](c1ccccc1)n1ccc2ccccc12 |r| Show InChI InChI=1S/C18H20N2O/c1-19-13-17(21)18(15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)20/h2-12,17-19,21H,13H2,1H3/t17-,18+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake at human NET expressed in MDCK-Net6 cells by scintillation counting				J Med Chem 52: 5703-11 (2009) Article DOI: 10.1021/jm900888c BindingDB Entry DOI: 10.7270/Q2CR5V9W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50297365 ((1S,2R)-1-(1H-indol-1-yl)-3-(methylamino)-1-phenyl...) Show SMILES CNC[C@@H](O)[C@H](c1ccccc1)n1ccc2ccccc12 |r| Show InChI InChI=1S/C18H20N2O/c1-19-13-17(21)18(15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)20/h2-12,17-19,21H,13H2,1H3/t17-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	358	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in JAR cells				Bioorg Med Chem Lett 19: 5807-10 (2009) Article DOI: 10.1016/j.bmcl.2009.07.050 BindingDB Entry DOI: 10.7270/Q2H70FV8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50297365 ((1S,2R)-1-(1H-indol-1-yl)-3-(methylamino)-1-phenyl...) Show SMILES CNC[C@@H](O)[C@H](c1ccccc1)n1ccc2ccccc12 |r| Show InChI InChI=1S/C18H20N2O/c1-19-13-17(21)18(15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)20/h2-12,17-19,21H,13H2,1H3/t17-,18+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human NET expressed in MDCK-Net6 cells				Bioorg Med Chem Lett 19: 5807-10 (2009) Article DOI: 10.1016/j.bmcl.2009.07.050 BindingDB Entry DOI: 10.7270/Q2H70FV8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50297365 ((1S,2R)-1-(1H-indol-1-yl)-3-(methylamino)-1-phenyl...) Show SMILES CNC[C@@H](O)[C@H](c1ccccc1)n1ccc2ccccc12 |r| Show InChI InChI=1S/C18H20N2O/c1-19-13-17(21)18(15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)20/h2-12,17-19,21H,13H2,1H3/t17-,18+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]Nisoxetine from human recombinant NET expressed in MDCK cells				Bioorg Med Chem Lett 19: 5029-32 (2009) Article DOI: 10.1016/j.bmcl.2009.07.053 BindingDB Entry DOI: 10.7270/Q2CC10SH
					More data for this Ligand-Target Pair